6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one

C22H19NO5 — CID 162650932

IUPAC6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(C)n3)oc12
InChIInChI=1S/C22H19NO5/c1-12-6-5-7-14(23-12)18-11-15(24)13-10-19(27-4)20-16(25-2)8-9-17(26-3)21(20)22(13)28-18/h5-11H,1-4H3
InChIKeyFSHGHTUKHMNPQN-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.34
Rot. Bonds4

About 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one

6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one (PubChem CID 162650932) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one.

Molecular Properties

Compound Name6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one
PubChem CID162650932
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one
SMILESCOc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(C)n3)oc12
InChIInChI=1S/C22H19NO5/c1-12-6-5-7-14(23-12)18-11-15(24)13-10-19(27-4)20-16(25-2)8-9-17(26-3)21(20)22(13)28-18/h5-11H,1-4H3
InChIKeyFSHGHTUKHMNPQN-UHFFFAOYSA-N
XLogP4.34
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6,7,10-Trimethoxy-2-quinolin-2-ylbenzo[h]chromen-4-one
CID 141533890
6,7,10-Trimethoxy-2-pyridin-2-ylbenzo[h]chromen-4-one
CID 162655045
2-(5-Fluoro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162650115
2-(6-Chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162657459
2-(5-Fluoro-3-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162658116
2-(2-Bromo-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162664371
6,7,10-Trimethoxy-2-pyridin-3-ylbenzo[h]chromen-4-one
CID 162664846
2-(5-Chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162675468
2-(4-Chloro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162675684
2-(6-Fluoro-2-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162676492
2-(2-Fluoro-4-pyridinyl)-6,7,10-trimethoxybenzo[h]chromen-4-one
CID 162677281
4-oxo-2-(3-(quinolin-2-ylmethoxy)phenyl)-4H-chromene-8-carboxylic acid
CID 10574284

Frequently Asked Questions

What is the IUPAC name of 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one?
The IUPAC name of 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one (CID 162650932) is 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one.
What is the SMILES notation for 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one?
The canonical SMILES for 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one is COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccc(C)n3)oc12.
What is the InChIKey of 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one?
The InChIKey is FSHGHTUKHMNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c1-12-6-5-7-14(23-12)18-11-15(24)13-10-19(27-4)20-16(25-2)8-9-17(26-3)21(20)22(13)28-18/h5-11H,1-4H3.
What are the key properties of 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one?
6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one has a molecular weight of 377.40 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10-trimethoxy-2-(6-methyl-2-pyridinyl)benzo[h]chromen-4-one is sourced from PubChem (CID 162650932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).